CAS No.7452-51-9,Mordant Violet 1 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	7452-51-9
Name:	Mordant Violet 1

Formula:	C₂₇H₂₇NO₆
Molecular Weight:	461.51
Synonyms:	C.I.Mordant Violet 1 (7CI,8CI);Brilliant Monochrome Violet 2B;C.I. 43565;Chromaven Brilliant Violet R;Chromoxane Brilliant Violet RE;Diamond BrilliantViolet RE;Eriochromal Brilliant Violet R;Eriochrome Brilliant Violet R;Mitsui Chrome Brilliant Violet RX;Omega Chrome Violet RC;Perchrome Violet BL;Shimazaki Chrome Brilliant Violet RX;Solochrome Brilliant Violet R;SolochromeBrilliant Violet R S;Sunchromine Brilliant Violet R;Superchrome BrilliantViolet NR;
EINECS:	231-222-8
Density:	1.317 g/cm³
Boiling Point:	695.4 °C at 760 mmHg
Flash Point:	374.4 °C
PSA:	115.14000
LogP:	4.58690

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Specification

The cas register number of Mordant Violet 1 is 7452-51-9. It also can be called as 5-[(3-Carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)[4-(diethylamino)phenyl]methyl]-3-methylsalicylic acid and the Systematic name about this chemical is 5-[(Z)-(3-carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-[4-(diethylamino)phenyl]methyl]-2-hydroxy-3-methylbenzoic acid.

Physical properties about Mordant Violet 1 are: (1)ACD/LogP: 6.67; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.99; (4)ACD/LogD (pH 7.4): 2.06; (5)ACD/BCF (pH 5.5): 14.58; (6)ACD/BCF (pH 7.4): 1.68; (7)ACD/KOC (pH 5.5): 21.42; (8)ACD/KOC (pH 7.4): 2.47; (9)#H bond acceptors: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 82.14Å²; (13)Index of Refraction: 1.656; (14)Molar Refractivity: 128.71 cm³; (15)Molar Volume: 350.2 cm³; (16)Polarizability: 51.02x10^-24cm³; (17)Surface Tension: 61.9 dyne/cm; (18)Enthalpy of Vaporization: 106.97 kJ/mol; (19)Boiling Point: 695.4 °C at 760 mmHg; (20)Vapour Pressure: 2.66E-20 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)\C1=C\C(\C=C(/C1=O)C)=C(\c2ccc(N(CC)CC)cc2)c3cc(C(=O)O)c(O)c(c3)C
(2)InChI: InChI=1/C27H27NO6/c1-5-28(6-2)20-9-7-17(8-10-20)23(18-11-15(3)24(29)21(13-18)26(31)32)19-12-16(4)25(30)22(14-19)27(33)34/h7-14,29H,5-6H2,1-4H3,(H,31,32)(H,33,34)/b23-19-
(3)InChIKey: MHXLUBGHVIPIGK-NMWGTECJBU
(4)Std. InChI: InChI=1S/C27H27NO6/c1-5-28(6-2)20-9-7-17(8-10-20)23(18-11-15(3)24(29)21(13-18)26(31)32)19-12-16(4)25(30)22(14-19)27(33)34/h7-14,29H,5-6H2,1-4H3,(H,31,32)(H,33,34)/b23-19-
(5)Std. InChIKey: MHXLUBGHVIPIGK-NMWGTECJSA-N